2,4-difluorobenzenesulfonic acid;hydroiodide

C6H5F2IO3S — CID 172866056

IUPAC2,4-difluorobenzenesulfonic acid;hydroiodide
SMILESI.O=S(=O)(O)c1ccc(F)cc1F
InChIInChI=1S/C6H4F2O3S.HI/c7-4-1-2-6(5(8)3-4)12(9,10)11;/h1-3H,(H,9,10,11);1H
InChIKeyZZVXXBCAVCVLFJ-UHFFFAOYSA-N
MW322.07 g/mol
LogP1.83
Rot. Bonds1

About 2,4-difluorobenzenesulfonic acid;hydroiodide

2,4-difluorobenzenesulfonic acid;hydroiodide (PubChem CID 172866056) has the molecular formula C6H5F2IO3S and a molecular weight of 322.07 g/mol. Its IUPAC name is 2,4-difluorobenzenesulfonic acid;hydroiodide.

Molecular Properties

Compound Name2,4-difluorobenzenesulfonic acid;hydroiodide
PubChem CID172866056
Molecular FormulaC6H5F2IO3S
Molecular Weight322.07 g/mol
Exact Mass321.90
IUPAC Name2,4-difluorobenzenesulfonic acid;hydroiodide
SMILESI.O=S(=O)(O)c1ccc(F)cc1F
InChIInChI=1S/C6H4F2O3S.HI/c7-4-1-2-6(5(8)3-4)12(9,10)11;/h1-3H,(H,9,10,11);1H
InChIKeyZZVXXBCAVCVLFJ-UHFFFAOYSA-N
XLogP1.83
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.07
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2,5-difluorobenzenesulfonic acid;hydrochloride
CID 174777821
2,4-difluorobenzenesulfonyl fluoride
CID 10867234
2,4-difluoro-1-methylsulfonylbenzene
CID 2758336
2,4-difluoro-1-methylsulfonylbenzene;titanium
CID 174383433
2-fluoro-4-sulfamoylbenzenesulfonic acid
CID 174894500
4-cyano-2-fluorobenzenesulfonic acid
CID 58462884
2-fluoro-4-methoxybenzenesulfonic acid;hydrochloride
CID 174836011
2-[(2,4-difluorophenyl)sulfonylamino]oxyacetic acid
CID 60661324
(E)-3-(2,4-difluorophenyl)sulfonylprop-2-enoic acid
CID 106435694
2-(2,4-difluorophenyl)sulfonylpropanoic acid
CID 43345424
benzene;2-fluorobenzenesulfonic acid
CID 174946544
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178

Frequently Asked Questions

What is the IUPAC name of 2,4-difluorobenzenesulfonic acid;hydroiodide?
The IUPAC name of 2,4-difluorobenzenesulfonic acid;hydroiodide (CID 172866056) is 2,4-difluorobenzenesulfonic acid;hydroiodide.
What is the SMILES notation for 2,4-difluorobenzenesulfonic acid;hydroiodide?
The canonical SMILES for 2,4-difluorobenzenesulfonic acid;hydroiodide is I.O=S(=O)(O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluorobenzenesulfonic acid;hydroiodide?
The InChIKey is ZZVXXBCAVCVLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2O3S.HI/c7-4-1-2-6(5(8)3-4)12(9,10)11;/h1-3H,(H,9,10,11);1H.
What are the key properties of 2,4-difluorobenzenesulfonic acid;hydroiodide?
2,4-difluorobenzenesulfonic acid;hydroiodide has a molecular weight of 322.07 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluorobenzenesulfonic acid;hydroiodide is sourced from PubChem (CID 172866056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).